1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one

C16H16N4O — CID 62465256

IUPAC1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one
SMILESCCNc1cc(Cn2c(=O)cnc3ccccc32)ccn1
InChIInChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)11-20-14-6-4-3-5-13(14)19-10-16(20)21/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyRXNUCTBRSMRMDA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.27
Rot. Bonds4

About 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one

1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one (PubChem CID 62465256) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one
PubChem CID62465256
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one
SMILESCCNc1cc(Cn2c(=O)cnc3ccccc32)ccn1
InChIInChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)11-20-14-6-4-3-5-13(14)19-10-16(20)21/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyRXNUCTBRSMRMDA-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethylamino)-4-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342277
3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one
CID 62464027
2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
CID 62850152
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 62466498
3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310569
1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one
CID 9353521
1-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
[4-[(2-propylbenzimidazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 115971072
2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
CID 62465252
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 62466141

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one?
The IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one (CID 62465256) is 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one?
The canonical SMILES for 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one is CCNc1cc(Cn2c(=O)cnc3ccccc32)ccn1.
What is the InChIKey of 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one?
The InChIKey is RXNUCTBRSMRMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)11-20-14-6-4-3-5-13(14)19-10-16(20)21/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one?
1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one is sourced from PubChem (CID 62465256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).